2,4-dioxo-1-pentan-3-ylpyrimidine-5-sulfonamide

C9H15N3O4S — CID 81340644

IUPAC2,4-dioxo-1-pentan-3-ylpyrimidine-5-sulfonamide
SMILESCCC(CC)n1cc(S(N)(=O)=O)c(=O)[nH]c1=O
InChIInChI=1S/C9H15N3O4S/c1-3-6(4-2)12-5-7(17(10,15)16)8(13)11-9(12)14/h5-6H,3-4H2,1-2H3,(H2,10,15,16)(H,11,13,14)
InChIKeyKNAUQSGDVNIODR-UHFFFAOYSA-N
MW261.30 g/mol
LogP-0.45
Rot. Bonds4

About 2,4-dioxo-1-pentan-3-ylpyrimidine-5-sulfonamide

2,4-dioxo-1-pentan-3-ylpyrimidine-5-sulfonamide (PubChem CID 81340644) has the molecular formula C9H15N3O4S and a molecular weight of 261.30 g/mol. Its IUPAC name is 2,4-dioxo-1-pentan-3-ylpyrimidine-5-sulfonamide.

Molecular Properties

Compound Name2,4-dioxo-1-pentan-3-ylpyrimidine-5-sulfonamide
PubChem CID81340644
Molecular FormulaC9H15N3O4S
Molecular Weight261.30 g/mol
Exact Mass261.08
IUPAC Name2,4-dioxo-1-pentan-3-ylpyrimidine-5-sulfonamide
SMILESCCC(CC)n1cc(S(N)(=O)=O)c(=O)[nH]c1=O
InChIInChI=1S/C9H15N3O4S/c1-3-6(4-2)12-5-7(17(10,15)16)8(13)11-9(12)14/h5-6H,3-4H2,1-2H3,(H2,10,15,16)(H,11,13,14)
InChIKeyKNAUQSGDVNIODR-UHFFFAOYSA-N
XLogP-0.45
TPSA115.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 5-0.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1,2,3,4-Tetrahydro-2,4-dioxo-5-pyrimidinesulfonamide
CID 73270
N-cyclopentyl-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-sulfonamide
CID 7196320
N-cyclohexyl-N,1,3-trimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-sulfonamide
CID 16277328
N-cyclohexyl-N-ethyl-1,3-dimethyl-2,4-dioxo-5-pyrimidinesulfonamide
CID 5310304
1-Methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-sulfonyl chloride
CID 64341367
N-cyclohexyl-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide
CID 7475135
1-Hexyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-sulfonyl chloride
CID 64340596
1-Butanesulfonyl-5-fluorouracil
CID 582626
1-(3-Fluoropropyl)-2,4-dioxopyrimidine-5-sulfonyl chloride
CID 81114146
1-(2-Fluoroethyl)-2,4-dioxopyrimidine-5-sulfonamide
CID 81339874
2,4-Dioxo-1-(3,3,3-trifluoropropyl)pyrimidine-5-sulfonamide
CID 81340258
1-(3-Fluoropropyl)-2,4-dioxopyrimidine-5-sulfonamide
CID 81340441

Frequently Asked Questions

What is the IUPAC name of 2,4-dioxo-1-pentan-3-ylpyrimidine-5-sulfonamide?
The IUPAC name of 2,4-dioxo-1-pentan-3-ylpyrimidine-5-sulfonamide (CID 81340644) is 2,4-dioxo-1-pentan-3-ylpyrimidine-5-sulfonamide.
What is the SMILES notation for 2,4-dioxo-1-pentan-3-ylpyrimidine-5-sulfonamide?
The canonical SMILES for 2,4-dioxo-1-pentan-3-ylpyrimidine-5-sulfonamide is CCC(CC)n1cc(S(N)(=O)=O)c(=O)[nH]c1=O.
What is the InChIKey of 2,4-dioxo-1-pentan-3-ylpyrimidine-5-sulfonamide?
The InChIKey is KNAUQSGDVNIODR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O4S/c1-3-6(4-2)12-5-7(17(10,15)16)8(13)11-9(12)14/h5-6H,3-4H2,1-2H3,(H2,10,15,16)(H,11,13,14).
What are the key properties of 2,4-dioxo-1-pentan-3-ylpyrimidine-5-sulfonamide?
2,4-dioxo-1-pentan-3-ylpyrimidine-5-sulfonamide has a molecular weight of 261.30 g/mol, XLogP of -0.45, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dioxo-1-pentan-3-ylpyrimidine-5-sulfonamide is sourced from PubChem (CID 81340644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).